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1-BOC-5-METHOXYINDOLE

1-BOC-5-METHOXYINDOLE structure

CAS No:
99275-47-5
Formula:
C14H17NO3
Chemical Name:
1-BOC-5-METHOXYINDOLE
Synonyms:
N-BOC-5-METHOXYINDOLE;TERT-BUTYL 5-METHOXY-1H-INDOLE-1-CARBOXYLATE;1-BOC-5-METHOXYINDOLE;5-Methoxy-1H-indole, N-BOC protected;5-Methoxy-1H-indole, N-BOC protected 98%;N-(tert-Butoxycarbonyl)-5-methoxyindole;5-Methoxyindole-1-carboxylic acid tert-butyl ester;5-Methoxy-1H-indole,N-BOCprotected98%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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1-BOC-5-METHOXYINDOLE Basic Attributes

Molecular Weight：

247.29

Exact Mass：

247.120850

DSSTox ID：

DTXSID00474161

HScode：

2933990090

Characteristics

PSA：

40.5

XLogP3：

3.78

Density：

1.1±0.1 g/cm3

Melting Point：

82-85

Boiling Point：

357.3±34.0 °C at 760 mmHg

Flash Point：

169.9±25.7 °C

Refractive Index：

1.532

Storage Conditions：

Keep Cold

Safety Information

Transport codes：

UN28116.1/PG3

wgk germany：

hazard class code：

22-36

safety instructions：

Marks：

Xi,Xn

Hazard note：

Harmful/Irritant/Keep Cold

Precautionary statement(s)：

P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H319

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-BOC-5-METHOXYINDOLE Use and Manufacturing

Reactant for preparation of:• ;Asymmetric intramolecular Friedel-Crafts alkylation reaction1• ;Palladium-catalyzed carboaminoxylations with arylboronic acids and TEMPO catalyst2• ;Fluorescent pyrimidopyrimidoindole nucleosides via Suzuki-Miyaura coupling reaction3• ;Novel conformationally restricted β- and γ-amino acids4• ;2-(Indolyl) borates, silanes, and silanols5• ;DNA minor groove alkylating agents as stable amine-based prodrugs designed for tumor-specific release6

Computed Properties

Molecular Weight:247.29
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:247.12084340
Monoisotopic Mass:247.12084340
Topological Polar Surface Area:40.5
Heavy Atom Count:18
Complexity:311
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 99275-47-5

Grade: Pharmaceutical Grade

Content: 99%

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